1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one

C10H7F3N2O — CID 141162912

IUPAC1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1ccc[nH]1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-4-9(16)15(6-7)8-2-1-5-14-8/h1-6,14H
InChIKeyLYDLTIWIZAZXRQ-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.18
Rot. Bonds1

About 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one

1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 141162912) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID141162912
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1ccc[nH]1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-4-9(16)15(6-7)8-2-1-5-14-8/h1-6,14H
InChIKeyLYDLTIWIZAZXRQ-UHFFFAOYSA-N
XLogP2.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one (CID 141162912) is 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1-c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LYDLTIWIZAZXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-4-9(16)15(6-7)8-2-1-5-14-8/h1-6,14H.
What are the key properties of 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one?
1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 228.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 141162912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).